5-methyl-6-pentoxy-N-propylpyrimidin-4-amine

C13H23N3O — CID 80866591

IUPAC5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
SMILESCCCCCOc1ncnc(NCCC)c1C
InChIInChI=1S/C13H23N3O/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyMXOPNFPEUGMWPH-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.18
Rot. Bonds8

About 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine

5-methyl-6-pentoxy-N-propylpyrimidin-4-amine (PubChem CID 80866591) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
PubChem CID80866591
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
SMILESCCCCCOc1ncnc(NCCC)c1C
InChIInChI=1S/C13H23N3O/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyMXOPNFPEUGMWPH-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 106451474
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine (CID 80866591) is 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine is CCCCCOc1ncnc(NCCC)c1C.
What is the InChIKey of 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine?
The InChIKey is MXOPNFPEUGMWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine?
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80866591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).